3-bromo-5-(trifluoromethoxy)benzonitrile

3-bromo-5-(trifluoromethoxy)benzonitrile

CAS: 914635-52-2

Formula: C8H3BrF3NO

SMILES: FC(F)(F)OC1=CC(Br)=CC(=C1)C#N

IUPAC: 3-bromo-5-(trifluoromethoxy)benzonitrile

InChI: InChI=1S/C8H3BrF3NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H

Composition: C (36.12%), H (1.14%), Br (30.04%), F (21.43%), N (5.27%), O (6.01%)

Molar Mass: 266.017

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.935011
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PQPKERBGCBHRJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.47
Topological Polar Surface Area	33.02
Polarizability	17.34
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	914635-52-2		$13.87-$199.24$13.87$22.70$56.75$199.24